Jove
Visualize
联系我们
JoVE
x logofacebook logolinkedin logoyoutube logo
关于 JoVE
概览领导团队博客JoVE 帮助中心
作者
出版流程编辑委员会范围与政策同行评审常见问题投稿
图书馆员
用户评价订阅访问资源图书馆顾问委员会常见问题
研究
JoVE JournalMethods CollectionsJoVE Encyclopedia of Experiments存档
教育
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab Manual教师资源中心教师网站
使用条款与条件
隐私政策
政策

相关概念视频

The Quantum-Mechanical Model of an Atom02:45

The Quantum-Mechanical Model of an Atom

56.3K
Shortly after de Broglie published his ideas that the electron in a hydrogen atom could be better thought of as being a circular standing wave instead of a particle moving in quantized circular orbits, Erwin Schrödinger extended de Broglie’s work by deriving what is now known as the Schrödinger equation. When Schrödinger applied his equation to hydrogen-like atoms, he was able to reproduce Bohr’s expression for the energy and, thus, the Rydberg formula governing hydrogen spectra.
56.3K
Molecular Models02:00

Molecular Models

43.3K
Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
43.3K
Hybridization of Atomic Orbitals II03:35

Hybridization of Atomic Orbitals II

47.4K
sp3d and sp3d 2 Hybridization
47.4K
Hybridization of Atomic Orbitals I03:24

Hybridization of Atomic Orbitals I

65.0K
The mathematical expression known as the wave function, ψ, contains information about each orbital and the wavelike properties of electrons in an isolated atom. When atoms are bound together in a molecule, the wave functions combine to produce new mathematical descriptions that have different shapes. This process of combining the wave functions for atomic orbitals is called hybridization and is mathematically accomplished by the linear combination of atomic orbitals. The new orbitals that...
65.0K
The Small x Assumption02:20

The Small x Assumption

49.3K
If a reaction has a small equilibrium constant, the equilibrium position favors the reactants. In such reactions, a negligible change in concentration may occur if the initial concentrations of reactants are high and the Kc value is small. In such circumstances, the equilibrium concentration is approximately equal to its initial concentration.  This estimation can be used to simplify the equilibrium calculations by assuming that some equilibrium concentrations are equal to the initial...
49.3K
Electron Orbital Model01:18

Electron Orbital Model

71.5K
Orbitals are the areas outside of the atomic nucleus where electrons are most likely to reside. They are characterized by different energy levels, shapes, and three-dimensional orientations. The location of electrons is described most generally by a shell or principal energy level, then by a subshell within each shell, and finally, by individual orbitals found within the subshells.
The first shell is closest to the nucleus, and it has only one subshell with a single spherical orbital called the...
71.5K

您也可能阅读

相关文章

通过共同作者、期刊和引用图与本文相关的文章。

排序
Same author

Learning Mixed Quantum States in Large-Scale Experiments.

Physical review letters·2026
Same author

Quantum Circuits for Matrix-Product Unitaries.

Physical review letters·2026
Same author

Dynamical Complexity of Non-Gaussian Many-Body Systems with Dissipation.

Physical review letters·2025
Same author

Optical Lattice Quantum Simulator of Dynamics beyond Born-Oppenheimer.

Physical review letters·2025
Same author

Error-Corrected Fermionic Quantum Processors with Neutral Atoms.

Physical review letters·2025
Same author

Probing Topological Entanglement on Large Scales.

Physical review letters·2025
Same journal

Retraction Note: NSD2 targeting reverses plasticity and drug resistance in prostate cancer.

Nature·2026
Same journal

Enhanced B cell priming induces broadly neutralizing HIV-1 apex antibodies.

Nature·2026
Same journal

Vaccination elicits HIV broadly neutralizing antibodies in primates.

Nature·2026
Same journal

Child online safety needs more than social-media bans.

Nature·2026
Same journal

Ebola preparedness must start with ecosystems and before humans show symptoms.

Nature·2026
Same journal

AI tools can speed up thinking, but evidence still comes from the lab bench.

Nature·2026
查看所有相关文章

相关实验视频

Updated: Jan 6, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

13.2K

类似的量子化学模拟

Javier Argüello-Luengo1,2, Alejandro González-Tudela3,4, Tao Shi1,5

  • 1Max-Planck-Institut für Quantenoptik, Garching, Germany.

Nature
|October 11, 2019
PubMed
概括
此摘要是机器生成的。

研究人员开发了一种用于精确分子电子结构计算的新型模拟量子模拟方法. 这种方法结合了超冷原子和空腔量子电力学,为量子化学问题提供了数字量子计算的有效替代方案.

更多相关视频

Deciphering the Structural Effects of Activating EGFR Somatic Mutations with Molecular Dynamics Simulation
15:05

Deciphering the Structural Effects of Activating EGFR Somatic Mutations with Molecular Dynamics Simulation

Published on: May 20, 2020

9.2K
Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
05:51

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

6.6K

相关实验视频

Last Updated: Jan 6, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
10:52

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

13.2K
Deciphering the Structural Effects of Activating EGFR Somatic Mutations with Molecular Dynamics Simulation
15:05

Deciphering the Structural Effects of Activating EGFR Somatic Mutations with Molecular Dynamics Simulation

Published on: May 20, 2020

9.2K
Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method
05:51

Isotopic Effect in Double Proton Transfer Process of Porphycene Investigated by Enhanced QM/MM Method

Published on: July 19, 2019

6.6K

科学领域:

  • 量子化学
  • 量子模拟
  • 原子物理

背景情况:

  • 精确计算分子电子结构是量子化学的一个主要挑战.
  • 对于传统的计算机来说, 精确的计算是难以处理的,
  • 数字量子模拟已经显示出有希望的结果, 但模拟方法提供了一个不需要可扩展量子计算机的替代方案.

研究的目的:

  • 为分子电子结构提出一种新的模拟量子模拟方法.
  • 展示一种克服工程库伦相互作用限制的方法,用于量子化学模拟.
  • 为了实现有效和精确的分子电子结构计算.

主要方法:

  • 使用光学网中的超冷原子来表示电子.
  • 使用光学潜力来模拟核吸引力.
  • 杆腔量子电动力学和单旋刺激在莫特绝缘体中介于电子库伦排斥.

主要成果:

  • 拟议的模拟器的运行条件已经确定.
  • 使用简单的分子成功测试了模拟方法.
  • 在量子化学中建立了一个可行的模拟库伦相互作用的方法.

结论:

  • 这项工作介绍了分子电子结构的高效模拟量子仿真技术.
  • 超冷原子和空腔量子电动学的结合为量子化学提供了强大的工具.
  • 这种方法为准确的电子结构计算铺平了道路, 进步了量子化学领域.